1-(8-fluoroquinolin-3-yl)ethanone

C11H8FNO — CID 75355413

IUPAC1-(8-fluoroquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C11H8FNO/c1-7(14)9-5-8-3-2-4-10(12)11(8)13-6-9/h2-6H,1H3
InChIKeyBMRCFRKTDSYQES-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.58
Rot. Bonds1

About 1-(8-fluoroquinolin-3-yl)ethanone

1-(8-fluoroquinolin-3-yl)ethanone (PubChem CID 75355413) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-(8-fluoroquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-fluoroquinolin-3-yl)ethanone
PubChem CID75355413
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name1-(8-fluoroquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C11H8FNO/c1-7(14)9-5-8-3-2-4-10(12)11(8)13-6-9/h2-6H,1H3
InChIKeyBMRCFRKTDSYQES-UHFFFAOYSA-N
XLogP2.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoroquinolin-3-yl)ethanone?
The IUPAC name of 1-(8-fluoroquinolin-3-yl)ethanone (CID 75355413) is 1-(8-fluoroquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(8-fluoroquinolin-3-yl)ethanone?
The canonical SMILES for 1-(8-fluoroquinolin-3-yl)ethanone is CC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of 1-(8-fluoroquinolin-3-yl)ethanone?
The InChIKey is BMRCFRKTDSYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c1-7(14)9-5-8-3-2-4-10(12)11(8)13-6-9/h2-6H,1H3.
What are the key properties of 1-(8-fluoroquinolin-3-yl)ethanone?
1-(8-fluoroquinolin-3-yl)ethanone has a molecular weight of 189.19 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoroquinolin-3-yl)ethanone is sourced from PubChem (CID 75355413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).